1729-99-3 (8-溴-1-萘甲酸,8-Bromo-1-naphthoic acid)

快速询单

结构式：

8-溴-1-萘甲酸MOL文件

CAS号：

1729-99-3

中文名称：

8-溴-1-萘甲酸

英文名称：

8-Bromo-1-naphthoic acid

分子式：

C₁₁H₇BrO₂

分子量：

251.076082468033

8-溴-1-萘甲酸(1729-99-3)名称与标识符

名称

中文别名：

8-溴-1-萘甲酸;8-溴-1-萘酸;8-溴萘-1-甲酸;

英文别名：

8-Bromo-1-naphthoic acid;8-Bromo-1-naphthoic acidneat;8-bromonaphthalene-1-carboxylic Acid;1-Naphthoicacid, 8-bromo- (6CI,7CI,8CI);8-Bromo-1-naphthalenecarboxylic acid;8-BROMO-1-NAPHTHOIC ACID: TECH.;1-Naphthalenecarboxylicacid, 8-bromo-;8-Bromonaphthalene-1-carboxylic acid, 8-Bromo-1-carboxynaphthalene;8-Bromo-1-naphthoicacid98%;1-Naphthalenecarboxylic acid, 8-bromo-;DMEZDDHJCUHENA-UHFFFAOYSA-N;Maybridge1_002138;8-Bromo-1-carboxynaphthalene;HMS547J04;8-bromo-naphthalene-1-carboxylic acid;AM84606;RP06140;TRA0080325;1729-99-3;Z1269110260;SCHEMBL955263;FT-0621509;8-Bromo-1-naphthoicacid;TS-00784;EN300-128951;Bromo-1-naphthoic acid;B4496MFF3H;DTXSID60169425;AKOS015893076;MFCD00029357;EINECS 217-045-9;A811475;CCG-233260;NS00025667;1-Naphthoic acid, 8-bromo-;W-206048;BAA72999;CS-W014098;SY106728;DB-026970;

标识符

MDL：

MFCD00029357

InChIKey：

DMEZDDHJCUHENA-UHFFFAOYSA-N

Inchi：

1S/C11H7BrO2/c12-9-6-2-4-7-3-1-5-8(10(7)9)11(13)14/h1-6H,(H,13,14)

SMILES：

BrC1=CC=CC2=CC=CC(C(=O)O)=C21

8-溴-1-萘甲酸(1729-99-3)物化性质

实验特性

LogP : 3.30050
PSA : 37.30000
折射率 : 1.697
沸点 : 421.2 °C at 760 mmHg
熔点 : 169-171 ºC
闪点 : 208.5 °C
密度 : 1.648

计算特性

精确分子量 : 249.96300
氢键供体数量 : 1
氢键受体数量 : 2
可旋转化学键数量 : 1
同位素质量 : 249.963
重原子数量 : 14
复杂度 : 229
同位素原子数量 : 0
确定原子立构中心数量 : 0
不确定原子立构中心数量 : 0
确定化学键立构中心数量 : 0
不确定化学键立构中心数量 : 0
共价键单元数量 : 1
疏水参数计算参考值（XlogP） : 3.1
互变异构体数量 : 无
表面电荷 : 0
拓扑分子极性表面积 : 37.3

8-溴-1-萘甲酸(1729-99-3)安全信息

8-溴-1-萘甲酸(1729-99-3)国际标准相关数据

EINECS：

217-045-9

8-溴-1-萘甲酸(1729-99-3)海关数据

海关编码：

2916399090

海关数据：

中国海关编码：

2916399090

概述：

2916399090 其他芳香一元羧酸. 增值税率:17.0% 退税率:9.0% 监管条件:无最惠国关税:6.5% 普通关税:30.0%

申报要素：

品名, 成分含量, 用途, 丙烯酸、丙烯酸盐或酯应报明包装

Summary：

2916399090 other aromatic monocarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

8-溴-1-萘甲酸(1729-99-3)推荐厂家更多厂家(28)

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上海源叶生物科技有限公司	15026964105 15026964105	汤思磊	2881489226	询单
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赫澎（上海）生物科技有限公司	13122891558 186-16545970	张硕	3418426269	询单
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上海绩祥生物科技有限公司	13093077543	陆经理	3985448220	询单
金锦乐（湖南）化学有限公司		金锦乐	1226360695	询单

8-溴-1-萘甲酸(1729-99-3)上下游

1,8-二溴萘 1,8-萘酸

8-溴-1-萘甲酸(1729-99-3)相关文献

1. 44. Derivatives of 8-bromo- and 8-chloro-1-naphthoic acids and their orientation by dehalogenation and decarboxylation
H. Gordon Rule,William Pursell,Robert R. H. Brown J. Chem. Soc. 1934 168
2. 23. Reactivity of peri-substituted naphthalenes. Part I. Displacement of the nitro-group in 8-nitro-1-naphthoic acid by thionyl halides to form 8-chloro- and 8-bromo-naphthoic acids
H. Gordon Rule,A. John G. Barnett J. Chem. Soc. 1932 175
3. 67. Reactivity of peri-substituted naphthalenes. Part III. Further synthetic reactions of 8-halogeno-1-naphthoic acids
H. Gordon Rule,H. McNeill Turner J. Chem. Soc. 1935 317
4. 410. Reactivity of peri-substituted naphthalenes. Part II. The replacement of halogen in 8-halogeno-1-naphthoic acids and in o-halogeno-benzoic acids
H. Gordon Rule,A. John G. Barnett J. Chem. Soc. 1932 2728
5. 125. 1 : 9-Benzanthrone-8-carboxylic acid and dibenzanthronedicarboxylic acid from 8-bromo-1-naphthoic acid
H. Gordon Rule,William Pursell,A. John G. Barnett J. Chem. Soc. 1935 571
6. Research advances in palladium-catalysed intermolecular C–H annulation of aryl halides with various aromatic ring precursors
Shujia Qiao,Wenbo Deng,Guobo Deng,Yun Liang,Yuan Yang Org. Biomol. Chem. 2022 20 6275
7. 230. Synthesis of mesobenzanthrones and anthanthrones by the ullmann method
H. Gordon Rule,F. Randall Smith J. Chem. Soc. 1937 1096
8. Formula index
J. Chem. Soc. 1932 3054
9. 153. Reactivity of the carbonyl group in mesobenzanthrone
Neil Campbell,A. A. Woodham J. Chem. Soc. 1952 843
10. Optical activity in 1-phenylnaphthalene-2′-carboxylic acid and related compounds
D. Muriel Hall,S. Ridgwell,E. E. Turner J. Chem. Soc. 1954 2498

8-溴-1-萘甲酸(1729-99-3) MSDS

基础信息

Name:	8-Bromo-1-naphthoic acid 97% Material Safety Data Sheet
Synonym:
CAS:	1729-99-3

Section 1 - Chemical Product ? MSDS Name:8-Bromo-1-naphthoic acid 97% Material Safety Data Sheet
Synonym:

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
1729-99-3	8-Bromo-1-naphthoic acid	97%	217-045-9

Hazard Symbols: None Listed.
Risk Phrases: None Listed.

Section 3 - HAZARDS IDENTIFICATION
? EMERGENCY OVERVIEW
Not available.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation. May be harmful if absorbed through the skin.
Ingestion:
May cause irritation of the digestive tract. May be harmful if swallowed.
Inhalation:
May cause respiratory tract irritation. May be harmful if inhaled.
Chronic:
Not available.

Section 4 - FIRST AID MEASURES
? Eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid.
Skin:
Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Ingestion:
Get medical aid. Wash mouth out with water.
Inhalation:
Remove from exposure and move to fresh air immediately.
Notes to Physician:
Treat symptomatically and supportively.

Section 5 - FIRE FIGHTING MEASURES
? General Information:
As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear.
Extinguishing Media:
Use water spray, dry chemical, carbon dioxide, or chemical foam.

Section 6 - ACCIDENTAL RELEASE MEASURES
? General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Vacuum or sweep up material and place into a suitable disposal container.

Section 7 - HANDLING and STORAGE
? Handling:
Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes.
Storage:
Store in a cool, dry place. Store in a tightly closed container.

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
? Engineering Controls:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 1729-99-3: Personal Protective Equipment Eyes: Not available.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to prevent skin exposure.
Respirators:
Follow the OSHA respirator regulations found in 29 CFR 1910.134 or European Standard EN 149. Use a NIOSH/MSHA or European Standard EN 149 approved respirator if exposure limits are exceeded or if irritation or other symptoms are experienced.

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES
?
Physical State: Solid
Color: white
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 162 - 164 deg C
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C11H7BrO2
Molecular Weight: 251

Section 10 - STABILITY AND REACTIVITY
? Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Carbon monoxide, carbon dioxide, hydrogen bromide, bromine.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
? RTECS#:
CAS# 1729-99-3 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
8-Bromo-1-naphthoic acid - Not listed by ACGIH, IARC, or NTP.

Section 12 - ECOLOGICAL INFORMATION
?

Section 13 - DISPOSAL CONSIDERATIONS
? Dispose of in a manner consistent with federal, state, and local regulations.

Section 14 - TRANSPORT INFORMATION
?
IATA
No information available.
IMO
No information available.
RID/ADR
No information available.

Section 15 - REGULATORY INFORMATION
?
European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: Not available.
Risk Phrases:
Safety Phrases:
S 24/25 Avoid contact with skin and eyes.
WGK (Water Danger/Protection)
CAS# 1729-99-3: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 1729-99-3 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 1729-99-3 is not listed on the TSCA inventory.
It is for research and development use only.

SECTION 16 - ADDITIONAL INFORMATION
N/A